24445-44-1 Purity
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Specification
The molecular formula of 4,6-Dinitro indole is C8H5N3O4.
The molecular weight of 4,6-Dinitro indole is 207.14 g/mol.
The IUPAC name of 4,6-Dinitro indole is 4,6-dinitro-1H-indole.
The InChI of 4,6-Dinitro indole is InChI=1S/C8H5N3O4/c12-10(13)5-3-7-6(1-2-9-7)8(4-5)11(14)15/h1-4,9H.
The InChIKey of 4,6-Dinitro indole is ZDIBNKJWLUKNHH-UHFFFAOYSA-N.
The canonical SMILES of 4,6-Dinitro indole is C1=CNC2=C1C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-].
The CAS number of 4,6-Dinitro indole is 245524-93-0.
The hydrogen bond donor count of 4,6-Dinitro indole is 1.
The hydrogen bond acceptor count of 4,6-Dinitro indole is 4.
Yes, 4,6-Dinitro indole is a canonicalized compound.